Found 125 results

Search term: MF = 'C_{27}H_{32}O_{3}'
ChemSpider 2D Image | (8R,9S,13S,14S)-3-(Benzyloxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane] | C27H32O3

(8R,9S,13S,14S)-3-(Benzyloxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane]

  • Molecular FormulaC27H32O3
  • Average mass404.541 Da
  • Monoisotopic mass404.235138 Da
  • ChemSpider ID29788682

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(8R,9S,13S,14S)-3-(Benzyloxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane] [ACD/IUPAC Name]
(8R,9S,13S,14S)-6,7,8,9,11,12,13,14,15,16-Decahydro-13-methyl-3-(phenylmethoxy)Spiro[17H-cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane]
162784-26-1 [RN]
4885464 [Beilstein]
844-245-9 [EINECS]
L E5 B666 FXTTT&J E1 OO1R& F-& BT5OXOTJ &&Estra- Form [WLN]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane], 6,7,8,9,11,12,13,14,15,16-decahydro-13-methyl-3-(phenylmethoxy)-, (8R,9S,13S,14S)- [ACD/Index Name]
(8'R,9'S,13'S,14'S)-13'-methyl-3'-phenylmethoxyspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]
3-(Benzyloxy)-estra-1,3,5(10)-trien-17-one cyclic 1,2-ethanediyl acetal
3-(Phenylmethoxy)-estra-1,3,5(10)-trien-17-one cyclic 1,2-ethanediyl acetal
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 549.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.9±3.0 kJ/mol
    Flash Point: 189.6±27.4 °C
    Index of Refraction: 1.612
    Molar Refractivity: 117.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.45
    ACD/LogD (pH 5.5): 5.55
    ACD/BCF (pH 5.5): 9803.51
    ACD/KOC (pH 5.5): 25039.18
    ACD/LogD (pH 7.4): 5.55
    ACD/BCF (pH 7.4): 9803.51
    ACD/KOC (pH 7.4): 25039.18
    Polar Surface Area: 28 Å2
    Polarizability: 46.7±0.5 10-24cm3
    Surface Tension: 50.5±5.0 dyne/cm
    Molar Volume: 339.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement